8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline

C54H34N4 — CID 163900129

IUPAC8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7cccnc67)cc5)n4)c3)c3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N4/c1-3-14-35(15-4-1)42-33-48(50-47-25-10-9-23-45(47)44-22-7-8-24-46(44)49(50)34-42)40-19-11-20-41(32-40)54-57-52(38-16-5-2-6-17-38)56-53(58-54)39-29-27-36(28-30-39)43-26-12-18-37-21-13-31-55-51(37)43/h1-34H
InChIKeyQJBZAYJFBCVIBA-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.88
Rot. Bonds6

About 8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline

8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 163900129) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID163900129
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7cccnc67)cc5)n4)c3)c3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N4/c1-3-14-35(15-4-1)42-33-48(50-47-25-10-9-23-45(47)44-22-7-8-24-46(44)49(50)34-42)40-19-11-20-41(32-40)54-57-52(38-16-5-2-6-17-38)56-53(58-54)39-29-27-36(28-30-39)43-26-12-18-37-21-13-31-55-51(37)43/h1-34H
InChIKeyQJBZAYJFBCVIBA-UHFFFAOYSA-N
XLogP13.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 163633543
8-[4-[6-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130264267
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;6,10-diphenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,10-diphenylphenanthridine
CID 159557083
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
5-[3-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-h]quinoline
CID 174287897
8-[4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581
8-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322534
6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
CID 152931593
8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline
CID 146190609

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline (CID 163900129) is 8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7cccnc67)cc5)n4)c3)c3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of 8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is QJBZAYJFBCVIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-3-14-35(15-4-1)42-33-48(50-47-25-10-9-23-45(47)44-22-7-8-24-46(44)49(50)34-42)40-19-11-20-41(32-40)54-57-52(38-16-5-2-6-17-38)56-53(58-54)39-29-27-36(28-30-39)43-26-12-18-37-21-13-31-55-51(37)43/h1-34H.
What are the key properties of 8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline?
8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 738.89 g/mol, XLogP of 13.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 163900129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).